SCHEMBL8882006

SCHEMBL8882006

C[N+](CCO)(CCO)CC(O)COP(=O)(O)O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 1/20 0.47
PLA2G1B P04054 1/20 0.47
MMP2 P08253 1/20 0.47
RAD52 P43351 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
LPAR5 Q9H1C0 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PGK1 P00558 1/20 0.40
PGK2 P07205 1/20 0.40
LPAR6 P43657 1/20 0.39
LPAR1 Q92633 1/20 0.39
LPAR4 Q99677 1/20 0.39
LPAR2 Q9HBW0 1/20 0.39
LPAR3 Q9UBY5 1/20 0.39
ENPP2 Q13822 1/20 0.39
PGD P52209 3/20 0.38
MPI P34949 1/20 0.38
SGPL1 O95470 4/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8882009 0.86 SMN1; SMN2 (0.45) PSMD14PLA2G1BMMP2RAD52ATG4B
SCHEMBL8884335 0.86 PSMD14 (0.47) PSMD14PLA2G1BMMP2ATG4BLPAR5
Ethylene Glycol SCHEMBL8891682 0.83 LPAR5 (0.45) LPAR5SMN1; SMN2PGK1PGK2LPAR6
Choline SCHEMBL29876695 0.81 SMN1; SMN2 (0.58) LPAR5SMN1; SMN2PGK1PGK2LPAR6
Choline SCHEMBL1009005 0.81 SMN1; SMN2 (0.58) LPAR5SMN1; SMN2PGK1PGK2LPAR6
SCHEMBL6236749 0.81 LPAR5 (0.49) LPAR5SMN1; SMN2PGK1PGK2LPAR6
Glycerin SCHEMBL8890733 0.78 SMN1; SMN2 (0.50) LPAR5SMN1; SMN2PGK1PGK2LPAR6
SCHEMBL27511186 0.74 PGK1 (0.50) LPAR5SMN1; SMN2PGK1PGK2LPAR6
SCHEMBL2487172 0.74 PGK1 (0.50) LPAR5SMN1; SMN2PGK1PGK2LPAR6
Ethylene Glycol SCHEMBL8890416 0.73 LPAR5 (0.55) PSMD14PLA2G1BMMP2RAD52ATG4B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0514588-B1 Novel phosphobetaine and detergent and cosmetic containing the same KAO CORP (JP) 1997-06-11 EP disclosed
US-5409705-A Phosphobetaine and detergent and cosmetic containing the same KAO CORPORATION (JP) 1995-04-25 US disclosed
EP-0514588-A2 Novel phosphobetaine and detergent and cosmetic containing the same Kao Corporation (JP) 1991-11-25 EP disclosed